1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-ethoxy-4-phenylmethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3-ethoxy-phenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-ethoxy-4-phenylmethoxyphenyl)-(3-methoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxy-3-ethoxy-phenyl)-(3-methoxyphenyl)methyl]isonipecotic acid Formula: C29H33NO5 MolecularWeight: 475.57602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)OC)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C2=CC(=CC=C2)OC)N3CCC(CC3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H33NO5/c1-3-34-27-19-24(12-13-26(27)35-20-21-8-5-4-6-9-21)28(23-10-7-11-25(18-23)33-2)30-16-14-22(15-17-30)29(31)32/h4-13,18-19,22,28H,3,14-17,20H2,1-2H3,(H,31,32)